SCHEMBL5517622

SCHEMBL5517622

O=C(O)c1ccc2c(c1)nc(-c1ccc(CCc3ccccc3)cc1)n2C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
HCAR3 P49019 2/20 0.47
PTGER4 P35408 4/20 0.47
IDH1 O75874 3/20 0.45
VDR P11473 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
BCAT2 O15382 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14614200 0.97 L3MBTL1 (0.59) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL14383204 0.91 L3MBTL1 (0.59) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL14383224 0.91 L3MBTL1 (0.59) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL14383228 0.91 L3MBTL1 (0.54) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL27574019 0.90 L3MBTL1 (0.69) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL27553706 0.90 L3MBTL1 (0.55) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL14382577 0.89 L3MBTL1 (0.67) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL14382666 0.89 L3MBTL1 (0.70) L3MBTL1HSD17B10GAAHCAR3PTGER4
SCHEMBL5516872 0.89 L3MBTL1 (0.54) L3MBTL1HSD17B10GAAPTGER4IDH1
SCHEMBL14613838 0.88 L3MBTL1 (0.67) L3MBTL1HSD17B10GAAHCAR3PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN claimed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US claimed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US claimed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP claimed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US claimed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP claimed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C L3MBTL1 3799/4885HSD17B10 486/4885GAA 487/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4672/4885HSD17B10 300/4885GAA 715/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4730/4885HSD17B10 280/4885GAA 765/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 L3MBTL1 4548/4885HSD17B10 548/4885GAA 657/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.